N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C21H30ClN3O2 — CID 119849610

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)C1CC2CCCCC2N1
InChIInChI=1S/C21H30ClN3O2/c22-17-7-3-2-6-16(17)20(25-9-11-27-12-10-25)14-23-21(26)19-13-15-5-1-4-8-18(15)24-19/h2-3,6-7,15,18-20,24H,1,4-5,8-14H2,(H,23,26)
InChIKeyRVAJXKUTZKVWLP-UHFFFAOYSA-N
MW391.94 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119849610) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119849610
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)C1CC2CCCCC2N1
InChIInChI=1S/C21H30ClN3O2/c22-17-7-3-2-6-16(17)20(25-9-11-27-12-10-25)14-23-21(26)19-13-15-5-1-4-8-18(15)24-19/h2-3,6-7,15,18-20,24H,1,4-5,8-14H2,(H,23,26)
InChIKeyRVAJXKUTZKVWLP-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119849605
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119829951
(2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701792
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119829763
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 55610194
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119320203
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 46412316
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55635533
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119849610) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(NCC(c1ccccc1Cl)N1CCOCC1)C1CC2CCCCC2N1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is RVAJXKUTZKVWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c22-17-7-3-2-6-16(17)20(25-9-11-27-12-10-25)14-23-21(26)19-13-15-5-1-4-8-18(15)24-19/h2-3,6-7,15,18-20,24H,1,4-5,8-14H2,(H,23,26).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 391.94 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119849610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).